1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide

C14H13N3O — CID 141319600

IUPAC1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(C#N)(NC(=O)C1(C#N)CC1)c1ccccc1
InChIInChI=1S/C14H13N3O/c1-13(9-15,11-5-3-2-4-6-11)17-12(18)14(10-16)7-8-14/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyKISKHTKXXHQZPH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.85
Rot. Bonds3

About 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide

1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 141319600) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
PubChem CID141319600
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(C#N)(NC(=O)C1(C#N)CC1)c1ccccc1
InChIInChI=1S/C14H13N3O/c1-13(9-15,11-5-3-2-4-6-11)17-12(18)14(10-16)7-8-14/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyKISKHTKXXHQZPH-UHFFFAOYSA-N
XLogP1.85
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 141319599
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
CID 115183413
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 62707555
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
N-(1-cyano-1-phenylethyl)formamide
CID 174786305
N-[1-(4-chlorophenyl)-1-iodoethyl]-4-cyanopiperidine-4-carboxamide
CID 68730644
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
2-(benzhydrylamino)-2-phenylpropanenitrile
CID 101454893
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide (CID 141319600) is 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide is CC(C#N)(NC(=O)C1(C#N)CC1)c1ccccc1.
What is the InChIKey of 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is KISKHTKXXHQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-13(9-15,11-5-3-2-4-6-11)17-12(18)14(10-16)7-8-14/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide?
1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 141319600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).